2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole

C11H15F3N2O — CID 172585349

IUPAC2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole
SMILESCCc1nc(C(F)(F)F)cn1C1CCOCC1
InChIInChI=1S/C11H15F3N2O/c1-2-10-15-9(11(12,13)14)7-16(10)8-3-5-17-6-4-8/h7-8H,2-6H2,1H3
InChIKeyQKGFCJDLJITEQM-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.82
Rot. Bonds2

About 2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole

2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole (PubChem CID 172585349) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole
PubChem CID172585349
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole
SMILESCCc1nc(C(F)(F)F)cn1C1CCOCC1
InChIInChI=1S/C11H15F3N2O/c1-2-10-15-9(11(12,13)14)7-16(10)8-3-5-17-6-4-8/h7-8H,2-6H2,1H3
InChIKeyQKGFCJDLJITEQM-UHFFFAOYSA-N
XLogP2.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole (CID 172585349) is 2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole is CCc1nc(C(F)(F)F)cn1C1CCOCC1.
What is the InChIKey of 2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole?
The InChIKey is QKGFCJDLJITEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-2-10-15-9(11(12,13)14)7-16(10)8-3-5-17-6-4-8/h7-8H,2-6H2,1H3.
What are the key properties of 2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole?
2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole has a molecular weight of 248.25 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 172585349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).